Ligand · 9I9
9I9 · (2S,3R)-2-azanyl-N-[(1R)-2-[3-[6,7-bis(chloranyl)-4-oxidanylidene-quinazolin-3-yl]propanoylamino]-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-3-oxidanyl-butanamide
9I9, (2S,3R)-2-azanyl-N-[(1R)-2-[3-[6,7-bis(chloranyl)-4-oxidanylidene-quinazolin-3-yl]propanoylamino]-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-3-oxidanyl-butanamide (C30 H28 Cl2 F3 N5 O4, 650.5 g/mol), in the MolNFT structures on…
- Component
- 9I9
- Formula
- C30 H28 Cl2 F3 N5 O4
- Class
- ligand
- Structures
- 2
- PDB entries
- 1
Binding sites
9I9 in 2 structures; the first of them:
- 7WMF · Threonyl-tRNA synthetase from Salmonella enterica in complex with an inhibitor · 9I9 A701 · binds HIS309, TYR313, ALA316, MET317, PRO331, MET332, CYS334, ARG363 and 17 more
- 7WMF · Threonyl-tRNA synthetase from salmonella enterica in complex with an inhibitor · 9I9 A701 · binds HIS309, TYR313, ALA316, MET317, PRO331, MET332, CYS334, ARG363 and 14 more
Residues it binds most
ARG 4, HIS 4, MET 4, ALA 4, TYR 4, CYS 4, ASP 4, GLN 4, GLY 4, PHE 4 (residue and the binding sites it lines).
Found with
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